SIMILAR PATTERNS OF AMINO ACIDS FOR 4HYF_C_NCAC1201_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d3u TATA-BINDING PROTEIN

(Pyrococcus
woesei) 		PF00352
(TBP) 		4 GLY A 160
ALA A 170
SER A 146
GLU A 169
 None
 0.83A 4hyfC-1d3uA:
undetectable		 4hyfC-1d3uA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbw TRANSCRIPTIONAL
REGULATORY PROTEIN
FIXJ

(Sinorhizobium
meliloti) 		PF00072
(Response_reg) 		4 GLY A  49
ALA A 118
TYR A   4
GLU A 120
 None
None
15P  A 999 (-4.3A)
None
 0.88A 4hyfC-1dbwA:
undetectable		 4hyfC-1dbwA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 APU  A 200 ( 3.3A)
APU  A 200 ( 4.0A)
APU  A 200 ( 4.0A)
APU  A 200 ( 3.6A)
None
 0.79A 4hyfC-1dtpA:
5.8		 4hyfC-1dtpA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 468
TYR A 470
ALA A 400
SER A 418
 None
 0.81A 4hyfC-1e8tA:
undetectable		 4hyfC-1e8tA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		8 HIS A 862
GLY A 863
TYR A 896
ALA A 898
LYS A 903
SER A 904
TYR A 907
GLU A 988
 BZC  A 201 (-4.0A)
BZC  A 201 (-3.9A)
BZC  A 201 (-4.0A)
BZC  A 201 ( 3.9A)
BZC  A 201 ( 4.8A)
BZC  A 201 (-3.3A)
BZC  A 201 (-3.6A)
BZC  A 201 (-4.0A)
 0.53A 4hyfC-1efyA:
20.0		 4hyfC-1efyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f99 R-PHYCOCYANIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		4 HIS A 140
GLY A 141
ALA A  43
GLU A  39
 None
 0.90A 4hyfC-1f99A:
undetectable		 4hyfC-1f99A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htn TETRANECTIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLY A  90
TYR A  97
ALA A  95
SER A  91
GLU A  98
 None
 1.38A 4hyfC-1htnA:
undetectable		 4hyfC-1htnA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		6 HIS A 440
GLY A 441
TYR A 470
ALA A 472
TYR A 481
GLU A 553
 None
 0.63A 4hyfC-1ikpA:
6.4		 4hyfC-1ikpA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		4 GLY A 228
ALA A 224
TYR A 229
GLU A 223
 None
 0.90A 4hyfC-1kr1A:
undetectable		 4hyfC-1kr1A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		4 GLY A 273
ALA A 314
SER A 272
TYR A 260
 None
 0.73A 4hyfC-1l1lA:
undetectable		 4hyfC-1l1lA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		4 GLY A 117
ALA A 124
SER A 118
GLU A   3
 None
 0.87A 4hyfC-1nb2A:
undetectable		 4hyfC-1nb2A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 GLY A 172
ALA A 232
SER A 292
TYR A 291
 None
None
None
OXL  A3508 (-4.6A)
 0.90A 4hyfC-1nvmA:
undetectable		 4hyfC-1nvmA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.75A 4hyfC-1o0sA:
undetectable		 4hyfC-1o0sA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 GLY A  43
ALA A 387
SER A  41
TYR A  42
 None
 0.76A 4hyfC-1qfxA:
undetectable		 4hyfC-1qfxA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 HIS A 227
GLY A 217
ALA A  89
GLU A 126
 None
None
None
MN  A 301 (-2.5A)
 0.68A 4hyfC-1qotA:
undetectable		 4hyfC-1qotA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A  17
GLY A  38
ALA A  88
TYR A  39
 None
None
NAD  A 360 (-3.6A)
None
 0.81A 4hyfC-1rkxA:
undetectable		 4hyfC-1rkxA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s4e GALACTOKINASE

(Pyrococcus
furiosus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 GLY A 113
TYR A  72
ALA A 135
GLU A 139
 None
ADP  A 400 (-3.6A)
None
MG  A 600 ( 4.9A)
 0.73A 4hyfC-1s4eA:
undetectable		 4hyfC-1s4eA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 HIS A  78
TYR A  81
ALA A 115
GLU A 117
 None
 0.80A 4hyfC-1sp3A:
undetectable		 4hyfC-1sp3A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t90 PROBABLE
METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00171
(Aldedh) 		4 GLY A 252
ALA A 409
LYS A 453
SER A 455
 NAD  A1490 (-3.4A)
None
None
None
 0.88A 4hyfC-1t90A:
undetectable		 4hyfC-1t90A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 HIS A 265
ALA A 273
SER A 268
GLU A 272
 None
 0.85A 4hyfC-1tezA:
undetectable		 4hyfC-1tezA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1whw HYPOTHETICAL PROTEIN
RIKEN CDNA
1200009A02

(Mus musculus) 		PF00076
(RRM_1) 		4 HIS A  91
GLY A  62
ALA A  95
GLU A  98
 None
 0.86A 4hyfC-1whwA:
undetectable		 4hyfC-1whwA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A  19
GLY A  40
ALA A  90
TYR A  41
 None
None
APR  A 400 (-3.4A)
None
 0.84A 4hyfC-1wvgA:
undetectable		 4hyfC-1wvgA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		4 HIS A  35
LYS A 194
SER A 195
TYR A 198
 None
 0.73A 4hyfC-1xqwA:
undetectable		 4hyfC-1xqwA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 GLY A 612
TYR A 398
TYR A 613
GLU A 434
 None
UGA  A1101 (-4.5A)
None
UGA  A1101 (-4.0A)
 0.86A 4hyfC-1z7eA:
undetectable		 4hyfC-1z7eA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		4 GLY A 100
TYR A  64
ALA A  95
GLU A  93
 None
 0.91A 4hyfC-1zbsA:
undetectable		 4hyfC-1zbsA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zs6 NUCLEOSIDE
DIPHOSPHATE KINASE 3

(Homo sapiens) 		PF00334
(NDK) 		4 GLY A 136
ALA A 143
SER A 137
GLU A  22
 None
 0.90A 4hyfC-1zs6A:
undetectable		 4hyfC-1zs6A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		4 GLY A  44
TYR A 712
SER A  41
GLU A  11
 None
 0.89A 4hyfC-2b0tA:
undetectable		 4hyfC-2b0tA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ctt DNAJ HOMOLOG
SUBFAMILY A MEMBER 3

(Homo sapiens) 		PF00684
(DnaJ_CXXCXGXG) 		4 GLY A  53
TYR A  50
SER A  54
GLU A  57
 None
 0.92A 4hyfC-2cttA:
undetectable		 4hyfC-2cttA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 GLY A 111
TYR A  70
ALA A 133
GLU A 137
 None
APW  A 402 (-3.8A)
None
APW  A 402 ( 4.8A)
 0.83A 4hyfC-2dejA:
undetectable		 4hyfC-2dejA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 102
LYS A 410
SER A 105
TYR A 101
GLU A 404
 None
NA  A1001 ( 4.0A)
None
None
NA  A1001 ( 2.8A)
 1.43A 4hyfC-2e7zA:
undetectable		 4hyfC-2e7zA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 GLY A  87
ALA A 103
SER A  89
TYR A  90
 SAM  A 300 (-3.2A)
None
None
None
 0.84A 4hyfC-2oxtA:
undetectable		 4hyfC-2oxtA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.52A 4hyfC-2pqfA:
20.2		 4hyfC-2pqfA:
28.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yo0 GENERAL CONTROL
PROTEIN GCN4,
PUTATIVE INNER
MEMBRANE PROTEIN

(Saccharomyces
cerevisiae;
Salmonella
enterica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 GLY A1279
ALA A1270
SER A1277
GLU A1272
 None
 0.90A 4hyfC-2yo0A:
undetectable		 4hyfC-2yo0A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY O  77
TYR O 436
ALA O 431
SER O   7
 None
 0.90A 4hyfC-2zf5O:
undetectable		 4hyfC-2zf5O:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsk 226AA LONG
HYPOTHETICAL
ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 GLY A 188
TYR A 180
LYS A 117
GLU A 184
 None
 0.86A 4hyfC-2zskA:
undetectable		 4hyfC-2zskA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 125
ALA A 328
LYS A 120
TYR A 294
 None
 0.89A 4hyfC-2zviA:
undetectable		 4hyfC-2zviA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		6 HIS B 440
GLY B 441
TYR B 470
ALA B 472
TYR B 481
GLU B 553
 NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 ( 4.2A)
NAD  B 700 (-3.4A)
NAD  B 700 (-3.5A)
 0.63A 4hyfC-3b78B:
6.5		 4hyfC-3b78B:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 384
GLY A 385
TYR A 414
ALA A 416
LYS A 421
SER A 422
GLU A 514
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 (-4.1A)
KU8  A 601 ( 4.0A)
KU8  A 601 (-4.3A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.9A)
 0.99A 4hyfC-3c49A:
19.6		 4hyfC-3c49A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 384
GLY A 385
TYR A 414
ALA A 416
SER A 422
TYR A 425
GLU A 514
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 (-4.1A)
KU8  A 601 ( 4.0A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.5A)
KU8  A 601 (-3.9A)
 0.66A 4hyfC-3c49A:
19.6		 4hyfC-3c49A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cfy PUTATIVE LUXO
REPRESSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00072
(Response_reg) 		4 HIS A 117
ALA A 121
SER A  76
GLU A 124
 None
 0.82A 4hyfC-3cfyA:
undetectable		 4hyfC-3cfyA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 GLY A  86
ALA A 102
SER A  88
TYR A  89
 SAM  A4633 (-3.2A)
None
None
None
 0.90A 4hyfC-3gczA:
undetectable		 4hyfC-3gczA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		4 GLY A  18
TYR A 210
ALA A 206
GLU A 207
 None
 0.90A 4hyfC-3gemA:
undetectable		 4hyfC-3gemA:
25.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A 284
ALA A 476
SER A 447
GLU A 475
 None
 0.85A 4hyfC-3gg4A:
undetectable		 4hyfC-3gg4A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 HIS A 286
GLY A 314
SER A 315
GLU A 310
 None
None
None
NA  A   1 ( 3.5A)
 0.92A 4hyfC-3gq9A:
undetectable		 4hyfC-3gq9A:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 HIS A 116
GLY A 355
ALA A 363
SER A 358
 None
 0.83A 4hyfC-3h5qA:
undetectable		 4hyfC-3h5qA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hka URONATE ISOMERASE

(Bacillus
halodurans) 		no annotation 4 GLY A 237
TYR A 178
SER A 234
GLU A 179
 None
 0.85A 4hyfC-3hkaA:
undetectable		 4hyfC-3hkaA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkv POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.46A 4hyfC-3hkvA:
18.9		 4hyfC-3hkvA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		4 GLY A 212
ALA A 279
SER A 211
GLU A 264
 None
 0.83A 4hyfC-3khzA:
undetectable		 4hyfC-3khzA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		6 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
GLU A 581
 G9L  A   1 (-3.9A)
G9L  A   1 (-3.7A)
G9L  A   1 (-4.5A)
G9L  A   1 (-3.4A)
G9L  A   1 (-3.5A)
G9L  A   1 (-4.6A)
 0.55A 4hyfC-3ki6A:
5.6		 4hyfC-3ki6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 165
ALA A 153
LYS A 168
GLU A 157
 None
 0.86A 4hyfC-3n6rA:
undetectable		 4hyfC-3n6rA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oou LIN2118 PROTEIN

(Listeria
innocua) 		PF12833
(HTH_18) 		4 GLY A  78
ALA A  62
SER A  80
TYR A  82
 None
 0.84A 4hyfC-3oouA:
undetectable		 4hyfC-3oouA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prv NUCLEOSIDE
DIPHOSPHATE KINASE

(Trypanosoma
cruzi) 		PF00334
(NDK) 		4 GLY A 118
ALA A 125
SER A 119
GLU A   4
 None
 0.91A 4hyfC-3prvA:
undetectable		 4hyfC-3prvA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		4 HIS A 379
GLY A 389
ALA A 374
GLU A 371
 None
 0.92A 4hyfC-3pz6A:
undetectable		 4hyfC-3pz6A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 HIS A 298
GLY A 145
ALA A 142
TYR A 147
 None
 0.92A 4hyfC-3pzrA:
undetectable		 4hyfC-3pzrA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		6 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
GLU A 581
 NAD  A 700 (-3.8A)
NAD  A 700 (-3.7A)
NAD  A 700 ( 3.7A)
NAD  A 700 ( 3.9A)
NAD  A 700 (-3.4A)
NAD  A 700 (-3.2A)
 0.57A 4hyfC-3q9oA:
5.3		 4hyfC-3q9oA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 HIS A 194
GLY A 196
ALA A 139
TYR A 253
 None
 0.92A 4hyfC-3rd5A:
undetectable		 4hyfC-3rd5A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5w L-ORNITHINE
5-MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF13434
(K_oxygenase) 		4 GLY A 421
ALA A  28
SER A 420
TYR A 424
 None
 0.87A 4hyfC-3s5wA:
undetectable		 4hyfC-3s5wA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t1e HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 467
TYR A 469
ALA A 399
SER A 417
 None
 0.82A 4hyfC-3t1eA:
undetectable		 4hyfC-3t1eA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3teb ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Leptotrichia
buccalis) 		PF03372
(Exo_endo_phos) 		4 GLY A 180
TYR A 185
ALA A 183
GLU A 186
 None
 0.90A 4hyfC-3tebA:
undetectable		 4hyfC-3tebA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 GLY X 360
ALA X 541
SER X 573
TYR X 363
 None
 0.80A 4hyfC-3zyyX:
undetectable		 4hyfC-3zyyX:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.74A 4hyfC-4ae0A:
5.7		 4hyfC-4ae0A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 GLY A 126
ALA A  87
SER A  85
TYR A  91
 None
 0.89A 4hyfC-4bhtA:
undetectable		 4hyfC-4bhtA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		4 GLY A  22
TYR A 473
ALA A 475
SER A 501
 None
 0.91A 4hyfC-4c3yA:
undetectable		 4hyfC-4c3yA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		4 GLY A   9
ALA A  30
TYR A   8
GLU A  63
 None
None
None
CS2  A 402 (-3.6A)
 0.84A 4hyfC-4eayA:
undetectable		 4hyfC-4eayA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLY A 464
TYR A 466
ALA A 551
GLU A 549
 None
 0.89A 4hyfC-4eq5A:
undetectable		 4hyfC-4eq5A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0d POLY [ADP-RIBOSE]
POLYMERASE 16

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.54A 4hyfC-4f0dA:
10.4		 4hyfC-4f0dA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0e POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 537
GLY A 538
TYR A 569
ALA A 571
SER A 577
TYR A 582
 0RU  A 701 (-3.7A)
0RU  A 701 (-3.3A)
0RU  A 701 (-4.3A)
None
0RU  A 701 (-3.5A)
0RU  A 701 (-3.7A)
 0.59A 4hyfC-4f0eA:
19.9		 4hyfC-4f0eA:
30.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f78 D,D-DIPEPTIDASE/D,D-
CARBOXYPEPTIDASE

(Enterococcus
faecalis) 		PF02557
(VanY) 		5 GLY A 172
TYR A 145
LYS A 177
SER A 176
TYR A 173
 None
None
None
None
EDO  A 313 ( 3.9A)
 1.08A 4hyfC-4f78A:
undetectable		 4hyfC-4f78A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 142
TYR A 148
SER A 138
TYR A 141
 None
 0.91A 4hyfC-4fdyA:
undetectable		 4hyfC-4fdyA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 193
TYR A 190
ALA A 161
GLU A 162
 None
 0.92A 4hyfC-4fdyA:
undetectable		 4hyfC-4fdyA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 468
TYR A 470
ALA A 400
SER A 418
 None
 0.87A 4hyfC-4fzhA:
undetectable		 4hyfC-4fzhA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 141
TYR A 147
SER A 137
TYR A 140
 None
 0.83A 4hyfC-4hpeA:
undetectable		 4hyfC-4hpeA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
SER A1068
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
1V8  A1201 (-3.6A)
1V8  A1201 (-2.7A)
1V8  A1201 (-3.3A)
 0.40A 4hyfC-4l2kA:
22.1		 4hyfC-4l2kA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
LYS A1067
SER A1068
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
SO4  A1203 ( 2.8A)
1V8  A1201 (-2.7A)
1V8  A1201 (-3.3A)
 1.04A 4hyfC-4l2kA:
22.1		 4hyfC-4l2kA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg3 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger) 		PF16175
(DUF4875) 		4 GLY A 150
ALA A 146
LYS A  81
GLU A 203
 None
 0.86A 4hyfC-4lg3A:
undetectable		 4hyfC-4lg3A:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		8 HIS A1184
GLY A1185
TYR A1213
ALA A1215
LYS A1220
SER A1221
TYR A1224
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
None
None
2XS  A1402 ( 3.9A)
None
 0.52A 4hyfC-4oa7A:
33.7		 4hyfC-4oa7A:
79.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		8 HIS C 862
GLY C 863
TYR C 896
ALA C 898
LYS C 903
SER C 904
TYR C 907
GLU C 988
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 (-3.5A)
2US  C1101 ( 4.8A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
2US  C1101 (-3.2A)
 0.62A 4hyfC-4oqaC:
19.8		 4hyfC-4oqaC:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1682
GLY A1683
TYR A1714
ALA A1716
SER A1722
TYR A1727
 XL2  A1901 (-4.0A)
XL2  A1901 (-3.6A)
XL2  A1901 (-3.7A)
XL2  A1901 (-3.4A)
XL2  A1901 (-2.6A)
XL2  A1901 (-3.6A)
 0.53A 4hyfC-4py4A:
17.6		 4hyfC-4py4A:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 HIS A 268
GLY A 269
ALA A 266
SER A 270
 None
 0.82A 4hyfC-4rnzA:
undetectable		 4hyfC-4rnzA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 672
GLY A 335
ALA A 611
SER A 336
GLU A 615
 GOL  A 916 (-4.1A)
GOL  A 916 ( 3.5A)
GOL  A 916 ( 4.2A)
None
None
 1.37A 4hyfC-4xmvA:
undetectable		 4hyfC-4xmvA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yiv APICAL MEMBRANE
ANTIGEN AMA1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		4 GLY A 372
TYR A 374
SER A 402
TYR A 403
 None
 0.79A 4hyfC-4yivA:
undetectable		 4hyfC-4yivA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A  41
TYR A  70
ALA A  44
SER A  37
 None
 0.83A 4hyfC-4zv4A:
undetectable		 4hyfC-4zv4A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 GLY A 564
ALA A 616
SER A 568
GLU A 615
 None
 0.87A 4hyfC-4zxlA:
undetectable		 4hyfC-4zxlA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		8 HIS A 428
GLY A 429
TYR A 462
ALA A 464
LYS A 469
SER A 470
TYR A 473
GLU A 558
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.2A)
D7N  A1584 (-3.9A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.9A)
 0.58A 4hyfC-4zzyA:
19.6		 4hyfC-4zzyA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A1031
GLY A1032
SER A1068
TYR A1071
GLU A1138
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
59B  A1203 (-3.7A)
 0.78A 4hyfC-5dczA:
32.4		 4hyfC-5dczA:
96.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
SER A1068
TYR A1071
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
59B  A1203 (-3.5A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
 0.46A 4hyfC-5dczA:
32.4		 4hyfC-5dczA:
96.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
LYS A1067
SER A1068
TYR A1071
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
PO4  A1202 (-2.7A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
 1.08A 4hyfC-5dczA:
32.4		 4hyfC-5dczA:
96.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		8 HIS A 415
GLY A 416
TYR A 449
ALA A 451
LYS A 456
SER A 457
TYR A 460
GLU A 545
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 (-3.8A)
UHB  A1001 ( 4.1A)
UHB  A1001 ( 4.6A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.4A)
UHB  A1001 (-3.5A)
 0.57A 4hyfC-5dsyA:
19.6		 4hyfC-5dsyA:
29.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLY A 494
ALA A 525
TYR A 491
GLU A 545
 None
 0.90A 4hyfC-5e6sA:
undetectable		 4hyfC-5e6sA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		4 GLY A  87
TYR A  84
ALA A  35
GLU A  30
 None
 0.84A 4hyfC-5infA:
undetectable		 4hyfC-5infA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		5 GLY A 376
TYR A 370
ALA A 379
SER A 377
GLU A 420
 None
 1.29A 4hyfC-5j5uA:
undetectable		 4hyfC-5j5uA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lx6 POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 78P  A1101 (-4.0A)
78P  A1101 (-3.7A)
78P  A1101 (-3.7A)
78P  A1101 ( 4.2A)
78P  A1101 (-2.8A)
78P  A1101 (-3.8A)
 0.50A 4hyfC-5lx6A:
19.0		 4hyfC-5lx6A:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 4 GLY A 231
ALA A 266
SER A 249
GLU A 267
 None
 0.86A 4hyfC-5m11A:
undetectable		 4hyfC-5m11A:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvk C-PHYCOCYANIN ALPHA
CHAIN

(Thermosynechococcus
elongatus) 		PF00502
(Phycobilisome) 		4 HIS A 140
GLY A 141
ALA A  43
GLU A  39
 None
 0.81A 4hyfC-5uvkA:
undetectable		 4hyfC-5uvkA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 4 GLY A 704
SER A 702
TYR A 703
GLU A 628
 None
 0.82A 4hyfC-5ve8A:
undetectable		 4hyfC-5ve8A:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
TYR A 246
GLU A 327
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
 0.56A 4hyfC-5xstA:
20.3		 4hyfC-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 GLY A 318
TYR A 313
ALA A 321
GLU A 311
 None
None
None
GOL  A 804 (-3.1A)
 0.80A 4hyfC-5yfbA:
undetectable		 4hyfC-5yfbA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 HIS L  91
GLY H  96
TYR L  49
GLU L  55
 None
SEP  P 396 ( 3.7A)
None
None
 0.92A 4hyfC-6bb4L:
undetectable		 4hyfC-6bb4L:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 8 HIS A 862
GLY A 863
TYR A 896
ALA A 898
LYS A 903
SER A 904
TYR A 907
GLU A 988
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-3.5A)
DQV  A1101 ( 4.1A)
DQV  A1101 ( 4.9A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
DQV  A1101 (-3.3A)
 0.48A 4hyfC-6bhvA:
20.3		 4hyfC-6bhvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 HIS A 752
GLY A 753
ALA A 775
SER A 761
 None
 0.84A 4hyfC-6eotA:
undetectable		 4hyfC-6eotA:
undetectable